(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol

C19H24ClNO3 — CID 51997058

IUPAC(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
SMILESCCOc1cc(CNC[C@H](C)O)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H24ClNO3/c1-3-23-19-10-15(12-21-11-14(2)22)7-8-18(19)24-13-16-5-4-6-17(20)9-16/h4-10,14,21-22H,3,11-13H2,1-2H3/t14-/m0/s1
InChIKeyWRXKIXWPBKVOQM-AWEZNQCLSA-N
MW349.86 g/mol
LogP3.79
Rot. Bonds9

About (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol

(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol (PubChem CID 51997058) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
PubChem CID51997058
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
SMILESCCOc1cc(CNC[C@H](C)O)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H24ClNO3/c1-3-23-19-10-15(12-21-11-14(2)22)7-8-18(19)24-13-16-5-4-6-17(20)9-16/h4-10,14,21-22H,3,11-13H2,1-2H3/t14-/m0/s1
InChIKeyWRXKIXWPBKVOQM-AWEZNQCLSA-N
XLogP3.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51992940
(2R)-1-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51432621
(2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997036
(2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997120
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
(2S)-1-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51560581
2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720430
2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66531949
(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
CID 7991496
1-[2-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17055015
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol (CID 51997058) is (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol is CCOc1cc(CNC[C@H](C)O)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol?
The InChIKey is WRXKIXWPBKVOQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-3-23-19-10-15(12-21-11-14(2)22)7-8-18(19)24-13-16-5-4-6-17(20)9-16/h4-10,14,21-22H,3,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol?
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol has a molecular weight of 349.86 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol is sourced from PubChem (CID 51997058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).